SCHEMBL5992705

SCHEMBL5992705

S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 4/20 1.00
ATG4B Q9Y4P1 1/20 1.00
PTPN7 P35236 8/20 0.76
ALDH1A1 P00352 6/20 0.76
KMT2A Q03164 5/20 0.76
KDM4E B2RXH2 4/20 0.76
MEN1 O00255 4/20 0.76
MAPT P10636 4/20 0.76
TDP1 Q9NUW8 3/20 0.76
HTT P42858 2/20 0.76
HPGD P15428 2/20 0.76
POLB P06746 2/20 0.76
ALOX15 P16050 2/20 0.76
CASP1 P29466 2/20 0.76
BLM P54132 2/20 0.76
HSD17B10 Q99714 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
THRB P10828 1/20 0.76
NR4A1 P22736 1/20 0.76
APEX1 P27695 1/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5997551 0.99 KDM4D (0.98) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL13856682 0.86 PTPN7 (1.00) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL9613308 0.85 TDP1 (1.00) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL18868635 0.83 MEN1 (0.80) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL20866608 0.78 ALDH1A1 (0.64) KDM4DATG4BALDH1A1KMT2AKDM4E
SCHEMBL5995022 0.77 KDM4D (1.00) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL9613368 0.76 PTPN7 (1.00) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL9613317 0.75 KDM4D (0.82) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL20272250 0.75 KDM4D (0.82) KDM4DATG4BPTPN7ALDH1A1KMT2A
SCHEMBL9613359 0.74 PTPN7 (0.77) KDM4DPTPN7ALDH1A1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed